UCSF

ZINC04970690

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.23 7.42 -5.53 0 3 0 27 302.805 4
Mid Mid (pH 6-8) 4.23 8.9 -28.34 1 3 1 28 303.813 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )